Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTILITGASGGLAQEMVKLL--PNDQLILLGRNKEKLAQLYGNY------SHAELIEIDITDDSALEALVTDLYLRYGKIDVLINNAGYGIFEGFDQIADKDIHQMFEVNTFALMNLSRHLAARMKES-SKGHIINIVSMAGLIATGK-SSLYSATKFAAIGFSNALRLELMPYGVYVTTVNPGPIRTGFFDQADPDGT------------Y---LKSVDRFLLEPDAVAKKIVKIIGKNKRELNLPILLNLAHKFYTLFPKLADKLAGETFNYK 4YAG Chain:B ((5-251)) GTTAFITGGASGIGFGIAQRLLANGARLVLADIRQDHLDEARQFFEERQQGRNVHTIRLDVSDRAQMAEAARECEAVMGGPDILINNAGIDPSGPFKDATYQDWDYGLAINLMGPINGIMAFTPGMRARGRGGHIVNTASLAGLTPMPSFMAIYATAKAAVITLTETIRDSMAEDNIGVTVLMPGPIKSRIHESGQNRPERFRAGSGLAETEQQLAKRVVADNWMEPTEVGDMIVDAIVHNKLYVST-----------------------------

General information: TITO was launched using: RESULT: Template: 4YAG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1209 -3983 -3.29 -17.94 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -3.29 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_4YAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YAG-query.scw PDB file : Tito_Scwrl_4YAG.pdb: